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首页> 外文期刊>Journal of the Physical Society of Japan >Metal-Semiconductor Transition Concomitant with a Structural Transformation in Tetrahedrite Cu12Sb4S13
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Metal-Semiconductor Transition Concomitant with a Structural Transformation in Tetrahedrite Cu12Sb4S13

机译：四方体Cu12Sb4S13中伴随结构转变的金属-半导体跃迁

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摘要

The tetrahedrite Cu12Sb4S13 undergoes a metal-semiconductor transition (MST) at T-MST = 85 K, whose mechanism remains elusive. Our Cu 2p X-ray photoemission spectroscopy study revealed the monovalent state of Cu ions occupying the two sites in this compound. This fact excludes the possibilities of previously proposed antiferromagnetic order and Jahn-Teller instability inherent in a divalent Cu system. A synchrotron X-ray diffraction study has revealed that the body-centered cubic cell of Cu12Sb4S13 transforms into a body-centered 2a x 2a x 2c tetragonal supercell below T-MST, where the cell volume per formula unit expands by 0.25%. We have further studied pressure effects on the MST as well as the effects of the substitution of As for Sb. The application of pressure above 1 GPa completely inhibits the MST and leads to a metallic state, suggesting that the low-temperature structure with a larger volume becomes unstable under pressure. The As substitution also reduces the volume and suppresses the MST but the full substitution induces another transition at 124 K.
机译：四面体Cu12Sb4S13在T-MST = 85 K时经历金属-半导体跃迁（MST），其机理尚不清楚。我们的Cu 2p X射线光电子能谱研究表明，铜离子占据了该化合物两个位置的单价态。这个事实排除了先前提出的反铁磁序和二价Cu系统固有的Jahn-Teller不稳定性的可能性。同步加速器X射线衍射研究表明，Cu12Sb4S13的以体心为立方的单元格转变为T-MST下方以体心为中心的2a x 2a x 2c的四边形超级电池，其中每个公式单位的细胞体积扩大了0.25％。我们进一步研究了压力对MST的影响以及As替代Sb的影响。施加高于1 GPa的压力会完全抑制MST并导致出现金属状态，这表明体积较大的低温结构在压力下变得不稳定。 As取代还会减少体积并抑制MST，但完全取代会在124 K处引发另一个跃迁。

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